REMARK  Name = BDB028184
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.545  -0.423   1.620  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -0.540   0.304   0.802  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.409   1.670   1.027  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        0.523   2.421   0.305  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        1.326   1.797  -0.654  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        1.204   0.423  -0.907  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1       -1.270   2.322   2.026  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -1.183   3.523   2.258  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -2.170   1.510   2.670  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -2.776   1.942   3.361  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1        0.260  -0.315  -0.170  0.00  0.00    +0.022 A 
ATOM     12  N   LIG    1       -2.313   0.169   2.489  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        2.039  -0.217  -1.916  0.00  0.00    +0.155 A 
ATOM     14  O   LIG    1        1.915  -1.575  -2.068  0.00  0.00    -0.442 OA
ATOM     15  C   LIG    1        2.797  -1.884  -3.056  0.00  0.00    +0.308 A 
ATOM     16  N   LIG    1        3.470  -0.867  -3.542  0.00  0.00    -0.224 NA
ATOM     17  C   LIG    1        2.993   0.200  -2.822  0.00  0.00    +0.160 A 
ENDBRANCH   6  13
BRANCH   1  18
ATOM     18  C   LIG    1       -1.717  -1.930   1.454  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.515  -2.192   0.255  0.00  0.00    -0.325 NA
ATOM     20  H   LIG    1       -2.722  -3.189   0.208  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1       -3.422  -1.733   0.369  0.00  0.00    +0.119 HD
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 3